SCHEMBL6240405

SCHEMBL6240405

C[C@@H]1SCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1OC(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.56
ADAM17 P78536 10/20 0.56
MMP13 P45452 3/20 0.56
MMP8 P22894 4/20 0.51
MMP3 P08254 2/20 0.51
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM33 Q9BZ11 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6239466 0.92 MMP1 (0.57) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238225 0.85 MMP1 (0.70) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6237846 0.85 MMP1 (0.70) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6235947 0.82 MMP1 (0.58) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL5760495 0.82 ADAM17 (0.61) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238727 0.80 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6241133 0.80 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6238179 0.80 MMP1 (0.54) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6244304 0.79 MMP1 (0.55) MMP1ADAM17MMP13MMP8MMP3
SCHEMBL6240359 0.79 MMP1 (0.53) MMP1ADAM17MMP13MMP8MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP claimed